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Chemical ID: 4066882
Chemical ID:
4066882
Name [?]:
N-(3-methyl-2-pyridyl)benzenesulfonamide
SMILES [?]:
Cc1cccnc1NS(=O)(=O)c2ccccc2
InChi [?]:
InChI=1/C12H12N2O2S/c1-10-6-5-9-13-12(10)14-17(15,16)11-7-3-2-4-8-11/h2-9H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,4,3,13,17,5,2,12,7,6,8,10,11,9/E:(3,4)(7,8)(15,16)/CRV:17.6/rA:17nCCCCCNCNSOOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O2S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.62053 |
Area: | 401.713 |
Solvation: | -2.42229 |
Coulombic: | -17.8959 |
Bond Count [?]
All: | 18 |
Single: | 10 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 248.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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